(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]
Acta Cryst. (2003). E59, m55-m56 [ doi:10.1107/S1600536803000138 ]
₄-Sulfido-bis(₂-phenylthiolato)tetrakis(tricarbonyliron)

M. Hu, C. Ma, X. Zhang, C. Fang, F. Chen, C. Chen and Q. Liu

Online 17 January 2003
Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.016 Å
R factor = 0.069
wR factor = 0.147
Data-to-parameter ratio = 14.0
checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    139
                   C3  -FE1 -C1  -O1    101.00 40.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    140
                   C2  -FE1 -C1  -O1   -159.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    141
                   S1  -FE1 -C1  -O1    -54.00 40.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    142
                   S2  -FE1 -C1  -O1     -4.00 41.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    143
                   FE2 -FE1 -C1  -O1      1.00 40.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    144
                   C3  -FE1 -C2  -O2    -77.00 41.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    145
                   C1  -FE1 -C2  -O2   -172.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    146
                   S1  -FE1 -C2  -O2     95.00 41.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    147
                   S2  -FE1 -C2  -O2     17.00 41.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    148
                   FE2 -FE1 -C2  -O2     50.00 41.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    149
                   C1  -FE1 -C3  -O3    -74.00 41.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    150
                   C2  -FE1 -C3  -O3   -173.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    151
                   S1  -FE1 -C3  -O3     25.00 42.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    152
                   S2  -FE1 -C3  -O3     86.00 41.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    153
                   FE2 -FE1 -C3  -O3     30.00 41.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    154
                   C5  -FE2 -C4  -O4     17.00 18.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    155
                   C6  -FE2 -C4  -O4    117.00 18.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    156
                   S1  -FE2 -C4  -O4    -69.00 18.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    157
                   S2  -FE2 -C4  -O4   -140.00 18.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    158
                   FE1 -FE2 -C4  -O4    -83.00 18.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    159
                   C4  -FE2 -C5  -O5   -135.00 14.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    160
                   C6  -FE2 -C5  -O5    128.00 14.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    161
                   S1  -FE2 -C5  -O5     21.00 14.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    162
                   S2  -FE2 -C5  -O5    -28.00 14.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    163
                   FE1 -FE2 -C5  -O5    -34.00 14.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    164
                   C4  -FE2 -C6  -O6    -21.00 16.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    165
                   C5  -FE2 -C6  -O6     70.00 16.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    166
                   S1  -FE2 -C6  -O6    161.00 16.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    167
                   S2  -FE2 -C6  -O6   -120.00 16.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    168
                   FE1 -FE2 -C6  -O6   -154.00 16.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    169
                   C8  -FE3 -C7  -O7     66.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    170
                   C9  -FE3 -C7  -O7    165.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    171
                   S1  -FE3 -C7  -O7    -93.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    172
                   S3  -FE3 -C7  -O7    -38.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    173
                   FE4 -FE3 -C7  -O7    -38.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    174
                   C7  -FE3 -C8  -O8     16.00 21.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    175
                   C9  -FE3 -C8  -O8    -83.00 21.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    176
                   S1  -FE3 -C8  -O8    111.00 21.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    177
                   S3  -FE3 -C8  -O8    175.00 21.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    178
                   FE4 -FE3 -C8  -O8    119.00 21.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    179
                   C7  -FE3 -C9  -O9     54.00 25.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    180
                   C8  -FE3 -C9  -O9    147.00 25.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    181
                   S1  -FE3 -C9  -O9    -39.00 25.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    182
                   S3  -FE3 -C9  -O9   -118.00 25.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    183
                   FE4 -FE3 -C9  -O9    -80.00 25.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    184
                   C12 -FE4 -C10 -O10  -116.00 20.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    185
                   C11 -FE4 -C10 -O10   143.00 19.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    186
                   S1  -FE4 -C10 -O10    36.00 20.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    187
                   S3  -FE4 -C10 -O10   -16.00 20.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    188
                   FE3 -FE4 -C10 -O10   -19.00 20.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    189
                   C12 -FE4 -C11 -O11    10.00 69.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    190
                   C10 -FE4 -C11 -O11   102.00 69.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    191
                   S1  -FE4 -C11 -O11  -166.00 69.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    192
                   S3  -FE4 -C11 -O11   -86.00 69.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    193
                   FE3 -FE4 -C11 -O11  -119.00 69.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    194
                   C10 -FE4 -C12 -O12    51.00 27.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    195
                   C11 -FE4 -C12 -O12   151.00 27.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    196
                   S1  -FE4 -C12 -O12   -38.00 27.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    197
                   S3  -FE4 -C12 -O12  -108.00 27.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    198
                   FE3 -FE4 -C12 -O12   -51.00 27.00   1.555   1.555   1.555   1.555

General Notes



FORMU_01  There is a discrepancy between the atom counts in the                 
          _chemical_formula_sum and _chemical_formula_moiety. This is           
          usually due to the moiety formula being in the wrong format.          
          Atom count from _chemical_formula_sum:   C24 H10 Fe4 O12 S3           
          Atom count from _chemical_formula_moiety:                             

ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      0.467                            
          Tmax scaled      0.467 Tmin scaled      0.326                         


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 60 Alert Level C = Please check
4-Sulfido-bis(2-phenylthiolato)tetrakis(tricarbonyliron)

M. Hu, C. Ma, X. Zhang, C. Fang, F. Chen, C. Chen and Q. Liu

Key indicators

checkCIF results

₄-Sulfido-bis(₂-phenylthiolato)tetrakis(tricarbonyliron)
